6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H16N4O2S — CID 70721181

IUPAC6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H16N4O2S/c22-15(14-11-19-17-21(16(14)23)9-10-24-17)20-7-3-13(4-8-20)12-1-5-18-6-2-12/h1-2,5-6,9-11,13H,3-4,7-8H2
InChIKeyMARVGHVMKVLAKT-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.17
Rot. Bonds2

About 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70721181) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID70721181
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H16N4O2S/c22-15(14-11-19-17-21(16(14)23)9-10-24-17)20-7-3-13(4-8-20)12-1-5-18-6-2-12/h1-2,5-6,9-11,13H,3-4,7-8H2
InChIKeyMARVGHVMKVLAKT-UHFFFAOYSA-N
XLogP2.17
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70721181) is 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MARVGHVMKVLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(14-11-19-17-21(16(14)23)9-10-24-17)20-7-3-13(4-8-20)12-1-5-18-6-2-12/h1-2,5-6,9-11,13H,3-4,7-8H2.
What are the key properties of 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 340.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70721181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).